@TestClass(value="org.openscience.cdk.signature.MoleculeFromSignatureBuilderTest") public class MoleculeFromSignatureBuilder extends signature.AbstractGraphBuilder
Constructor and Description |
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MoleculeFromSignatureBuilder(IChemObjectBuilder builder)
Uses the chem object builder for making molecules.
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Modifier and Type | Method and Description |
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IAtomContainer |
getAtomContainer()
Gets the atom container.
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void |
makeEdge(int vertexIndex1,
int vertexIndex2,
String vertexSymbol1,
String vertexSymbol2,
String edgeLabel) |
void |
makeGraph() |
void |
makeVertex(String label) |
public MoleculeFromSignatureBuilder(IChemObjectBuilder builder)
builder
- a builder for CDK molecules.@TestMethod(value="makeEdgeTest_singleBond,makeEdgeTest_doubleBond,makeEdgeTest_tripleBond,makeEdgeTest_aromaticBond") public void makeEdge(int vertexIndex1, int vertexIndex2, String vertexSymbol1, String vertexSymbol2, String edgeLabel)
makeEdge
in class signature.AbstractGraphBuilder
@TestMethod(value="makeGraphTest") public void makeGraph()
makeGraph
in class signature.AbstractGraphBuilder
@TestMethod(value="makeVertexTest") public void makeVertex(String label)
makeVertex
in class signature.AbstractGraphBuilder
@TestMethod(value="getAtomContainerTest") public IAtomContainer getAtomContainer()